3-Ethylbenzenethiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62154-77-2

    Molecular formula
    C8H10S

    SMILES
    CCC1=CC(=CC=C1)S

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 81.5%
    Meaty 73.44%
    Roasted 66.9%
    Burnt 59.1%
    Smoky 48.7%
    Phenolic 47.99%
    Coffee 45.98%
    Savory 42.35%
    Onion 40.28%
    Garlic 37.69%

     

    Flavor
    Phenolic 47.96%
    Meaty 39.75%
    Medicinal 39.31%
    Woody 39.05%
    Spicy 33.19%
    Sulfurous 31.14%
    Smoky 28.37%
    Phenol 26.0%
    Smoke 25.88%
    Plastic 25.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.59 (weak base)

    Molecular weight
    138.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point

    • 79.1 ˚C est.

  • Synonyms

    • 3-ETHYLBENZENETHIOL
    • RefChem:501434
    • 816-006-9
    • 62154-77-2
    • 3-Ethylbenzene-1-thiol
    • 3-ethylthiophenol
    • MFCD09037630
    • SCHEMBL972794
    • SCHEMBL1645040
    • SCHEMBL1645043
    • SCHEMBL27408663
    • SCHEMBL30995244
    • DTXSID00574397
    • MCA15477
    • AKOS006331139
    • DB-366476
    • EN300-673727
    • 62154-77-2

  • Applications

    3-Ethylbenzenethiol, CAS 62154-77-2, is used as an organic synthesis intermediate to prepare aryl sulfide (thioether) derivatives. It may also serve as an odorant/fragrance ingredient in perfumery and flavor applications. As a thiol-containing compound, it can act as a precursor for dye and pigment derivatives via thiol-ene or sulfidation transformations. It can be employed as a functional ingredient in coatings and adhesives, where the thiol group supports bonding and surface crosslinking. In research and development, aryl thiols like 3-Ethylbenzenethiol are evaluated as precursors for functional surface materials in electronics and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 384.67
    methanol 292.32
    isopropanol 327.91
    water 0.33
    ethyl acetate 494.43
    n-propanol 362.41
    acetone 903.33
    n-butanol 365.57
    acetonitrile 461.79
    DMF 757.79
    toluene 306.86
    isobutanol 273.45
    1,4-dioxane 1268.8
    methyl acetate 511.31
    THF 1498.85
    2-butanone 674.91
    n-pentanol 292.14
    sec-butanol 309.01
    n-hexane 162.92
    ethylene glycol 76.31
    NMP 619.65
    cyclohexane 130.95
    DMSO 823.87
    n-butyl acetate 526.13
    n-octanol 233.53
    chloroform 917.88
    n-propyl acetate 367.61
    acetic acid 204.94
    dichloromethane 899.07
    cyclohexanone 812.02
    propylene glycol 107.38
    isopropyl acetate 283.13
    DMAc 465.32
    2-ethoxyethanol 366.59
    isopentanol 287.7
    n-heptane 130.56
    ethyl formate 264.38
    1,2-dichloroethane 645.67
    n-hexanol 501.22
    2-methoxyethanol 492.7
    isobutyl acetate 285.14
    tetrachloromethane 215.91
    n-pentyl acetate 275.25
    transcutol 852.8
    n-heptanol 229.37
    ethylbenzene 181.0
    MIBK 338.09
    2-propoxyethanol 660.9
    tert-butanol 393.0
    MTBE 500.18
    2-butoxyethanol 330.55
    propionic acid 217.24
    o-xylene 163.41
    formic acid 39.83
    diethyl ether 697.89
    m-xylene 198.84
    p-xylene 205.03
    chlorobenzene 367.87
    dimethyl carbonate 185.24
    n-octane 61.82
    formamide 72.51
    cyclopentanone 1036.32
    2-pentanone 571.32
    anisole 368.23
    cyclopentyl methyl ether 601.95
    gamma-butyrolactone 805.25
    1-methoxy-2-propanol 431.89
    pyridine 621.08
    3-pentanone 400.3
    furfural 540.93
    n-dodecane 46.1
    diethylene glycol 378.45
    diisopropyl ether 189.49
    tert-amyl alcohol 317.71
    acetylacetone 509.21
    n-hexadecane 51.97
    acetophenone 281.97
    methyl propionate 377.94
    isopentyl acetate 388.31
    trichloroethylene 964.78
    n-nonanol 202.6
    cyclohexanol 311.15
    benzyl alcohol 218.76
    2-ethylhexanol 283.51
    isooctanol 185.79
    dipropyl ether 429.83
    1,2-dichlorobenzene 296.59
    ethyl lactate 146.8
    propylene carbonate 409.72
    n-methylformamide 251.55
    2-pentanol 261.96
    n-pentane 110.53
    1-propoxy-2-propanol 432.72
    1-methoxy-2-propyl acetate 361.05
    2-(2-methoxypropoxy) propanol 259.97
    mesitylene 138.9
    ε-caprolactone 557.67
    p-cymene 125.56
    epichlorohydrin 897.46
    1,1,1-trichloroethane 637.37
    2-aminoethanol 135.66
    morpholine-4-carbaldehyde 681.59
    sulfolane 899.3
    2,2,4-trimethylpentane 53.79
    2-methyltetrahydrofuran 923.05
    n-hexyl acetate 374.27
    isooctane 56.87
    2-(2-butoxyethoxy)ethanol 376.95
    sec-butyl acetate 234.18
    tert-butyl acetate 328.13
    decalin 80.07
    glycerin 148.88
    diglyme 695.95
    acrylic acid 175.63
    isopropyl myristate 171.62
    n-butyric acid 339.26
    acetyl acetate 256.97
    di(2-ethylhexyl) phthalate 132.9
    ethyl propionate 277.4
    nitromethane 439.97
    1,2-diethoxyethane 478.03
    benzonitrile 276.34
    trioctyl phosphate 118.82
    1-bromopropane 506.83
    gamma-valerolactone 870.41
    n-decanol 161.57
    triethyl phosphate 132.4
    4-methyl-2-pentanol 163.25
    propionitrile 360.17
    vinylene carbonate 340.68
    1,1,2-trichlorotrifluoroethane 410.77
    DMS 268.54
    cumene 134.79
    2-octanol 171.31
    2-hexanone 476.88
    octyl acetate 208.91
    limonene 194.02
    1,2-dimethoxyethane 761.44
    ethyl orthosilicate 135.08
    tributyl phosphate 130.52
    diacetone alcohol 342.8
    N,N-dimethylaniline 225.52
    acrylonitrile 355.45
    aniline 263.83
    1,3-propanediol 221.07
    bromobenzene 414.54
    dibromomethane 679.28
    1,1,2,2-tetrachloroethane 713.99
    2-methyl-cyclohexyl acetate 229.18
    tetrabutyl urea 170.14
    diisobutyl methanol 165.89
    2-phenylethanol 286.68
    styrene 234.96
    dioctyl adipate 190.82
    dimethyl sulfate 294.31
    ethyl butyrate 293.32
    methyl lactate 162.6
    butyl lactate 177.8
    diethyl carbonate 172.96
    propanediol butyl ether 260.96
    triethyl orthoformate 189.31
    p-tert-butyltoluene 134.61
    methyl 4-tert-butylbenzoate 237.48
    morpholine 1011.88
    tert-butylamine 257.65
    n-dodecanol 132.6
    dimethoxymethane 592.2
    ethylene carbonate 312.52
    cyrene 252.03
    2-ethoxyethyl acetate 317.25
    2-ethylhexyl acetate 324.27
    1,2,4-trichlorobenzene 352.76
    4-methylpyridine 557.76
    dibutyl ether 306.57
    2,6-dimethyl-4-heptanol 165.89
    DEF 440.85
    dimethyl isosorbide 402.94
    tetrachloroethylene 468.74
    eugenol 244.32
    triacetin 251.53
    span 80 251.14
    1,4-butanediol 122.47
    1,1-dichloroethane 687.01
    2-methyl-1-pentanol 243.94
    methyl formate 240.64
    2-methyl-1-butanol 272.53
    n-decane 71.6
    butyronitrile 384.39
    3,7-dimethyl-1-octanol 201.26
    1-chlorooctane 216.54
    1-chlorotetradecane 97.72
    n-nonane 78.06
    undecane 55.53
    tert-butylcyclohexane 88.35
    cyclooctane 64.05
    cyclopentanol 346.51
    tetrahydropyran 1037.09
    tert-amyl methyl ether 310.0
    2,5,8-trioxanonane 437.92
    1-hexene 386.25
    2-isopropoxyethanol 316.2
    2,2,2-trifluoroethanol 76.37
    methyl butyrate 364.64

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction